SCHEMBL14068424

SCHEMBL14068424

O=S(O)c1cccc(-c2ccc(C(F)(F)F)cc2)c1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 9/20 0.50
DHODH Q02127 1/20 0.47
PTPN1 P18031 2/20 0.45
AGXT P21549 1/20 0.45
HDAC4 P56524 1/20 0.43
GLO1 Q04760 1/20 0.42
PTPN5 P54829 1/20 0.41
MGLL Q99685 1/20 0.41
AR P10275 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4440025 0.98 KIF11 (0.48) KIF11DHODHPTPN1AGXTHDAC4
SCHEMBL4440029 0.82 KIF11 (0.48) KIF11DHODHPTPN1AGXTHDAC4
SCHEMBL4441126 0.81 AKR1C3 (0.49) KIF11
SCHEMBL19561446 0.81 DHODH (0.51) KIF11DHODHPTPN1
SCHEMBL1825332 0.80 CES2 (0.50) MGLL
SCHEMBL18434981 0.80 HDAC8 (0.45) DHODHPTPN1HDAC4PTPN5MGLL
SCHEMBL30097986 0.79 CES2 (0.53) MGLL
SCHEMBL1584197 0.79 CES2 (0.48) MGLL
Hydrogen Sulfide SCHEMBL27914319 0.78 HDAC8 (0.44) DHODHPTPN1HDAC4PTPN5MGLL
SCHEMBL26821713 0.78 KIF11 (0.73) KIF11DHODHPTPN1AGXTGLO1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080221127-A1 peroxisome proliferator-activated receptor agonists; congestive heart failure, atherosclerosis, arteriosclerosis, obesity, hyperlipidemia, hypoalphalipoproteinemia, Syndrome X, diabetes, insulin resistance PLEXXIKON INC 2008-09-11 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080221127-A1 peroxisome proliferator-activated receptor agonists; congestive heart failure, atherosclerosis, arteriosclerosis, obesity, hyperlipidemia, hypoalphalipoproteinemia, Syndrome X, diabetes, insulin resistance PPARA, PPARG, PPARD KIF11 4491/4885DHODH 4189/4885PTPN1 1763/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.